2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide

C16H21N5O — CID 95838700

IUPAC2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC[C@H]1c1cccc(-n2ccnc2)n1
InChIInChI=1S/C16H21N5O/c1-19(2)16(22)11-20-9-4-6-14(20)13-5-3-7-15(18-13)21-10-8-17-12-21/h3,5,7-8,10,12,14H,4,6,9,11H2,1-2H3/t14-/m0/s1
InChIKeyNNUXZZGQPKKJNC-AWEZNQCLSA-N
MW299.38 g/mol
LogP1.49
Rot. Bonds4

About 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide

2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide (PubChem CID 95838700) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide
PubChem CID95838700
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC[C@H]1c1cccc(-n2ccnc2)n1
InChIInChI=1S/C16H21N5O/c1-19(2)16(22)11-20-9-4-6-14(20)13-5-3-7-15(18-13)21-10-8-17-12-21/h3,5,7-8,10,12,14H,4,6,9,11H2,1-2H3/t14-/m0/s1
InChIKeyNNUXZZGQPKKJNC-AWEZNQCLSA-N
XLogP1.49
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815726
2-imidazol-1-yl-6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 110258092
2-imidazol-1-yl-6-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95826941
2-imidazol-1-yl-6-[(2S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826940
2-imidazol-1-yl-6-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 110258101
2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95838660
2-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815752
2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 110267895
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
CID 95841666
2-imidazol-1-yl-6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826958

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide (CID 95838700) is 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC[C@H]1c1cccc(-n2ccnc2)n1.
What is the InChIKey of 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is NNUXZZGQPKKJNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O/c1-19(2)16(22)11-20-9-4-6-14(20)13-5-3-7-15(18-13)21-10-8-17-12-21/h3,5,7-8,10,12,14H,4,6,9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide?
2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 299.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95838700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).